| SpectraBase Compound ID | EquQV5sbKhd |
|---|---|
| InChI | InChI=1S/C26H27N3O7/c1-26(2,35-3)21-9-8-19(24(14-21)18-6-4-17(16-27)5-7-18)10-11-36-25(30)20-12-22(28(31)32)15-23(13-20)29(33)34/h4-8,12-13,15,21,24H,9-11,14H2,1-3H3/t21-,24+/m1/s1 |
| InChIKey | LHAQHUVYLHANCN-QPPBQGQZSA-N |
| Mol Weight | 493.52 g/mol |
| Molecular Formula | C26H27N3O7 |
| Exact Mass | 493.1849 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | JcR5IQHCtqL |
|---|---|
| Name | (CIS-6-(4-CYANOPHENYL)-4-(1-METHOXY-1-METHYLETHYL)-1-METHYL-CYCLOHEXENE)-2-ETHYL-3,5-DINITRO-BENZOATE |
| Compound Number | 27 |
| Copyright | Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved. |
| Formula | C26H27N3O7 |
| InChI | InChI=1S/C26H27N3O7/c1-26(2,35-3)21-9-8-19(24(14-21)18-6-4-17(16-27)5-7-18)10-11-36-25(30)20-12-22(28(31)32)15-23(13-20)29(33)34/h4-8,12-13,15,21,24H,9-11,14H2,1-3H3/t21-,24+/m1/s1 |
| InChIKey | LHAQHUVYLHANCN-QPPBQGQZSA-N |
| Literature Reference Author | D.R.ARNOLD,X.DU |
| Literature Reference Citation | CAN.J.CHEM.,72,403(1994) |
| Literature Reference DOI | 10.1139/v94-062 |
| Molecular Weight | 493.516 g/mol |
| Solvent | CDCl3 |
| Source File Reference | UWPR1647 |